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Crystal structure of Plasmodium vivax AMA1 in complex with a 39 aa PvRON2 peptide

Analyse Crystal structure of Plasmodium vivax AMA1 in complex with a 39 aa PvRON2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5NQG
Type
protein
Length
415 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.15
Source
PLASMODIUM VIVAX SAL-1; SYNTHETIC CONSTRUCT
Molecule
Apical merozoite antigen 1; RON2
UniProt
O61130, A5K3N8
Pockets
4 · best druggability 0.48

Structure

x-ray diffraction · resolution 2.15 · 2 distinct chains · 19% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AApical merozoite antigen 1protein38219% helix, 28% strandO61130
BRON2protein3318% helix, 27% strandA5K3N8

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11250.480.7926empty
2950.400.7623empty
3910.380.7618empty
4870.320.7318empty

Interfaces

1 interface between chains.

  • A–B · 1451 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

  • 5NQG · Crystal structure of plasmodium vivax AMA1 in complex with a 39 aa PVRON2 peptide · the same entry in another collection · chain A against A, TM-score 1.00

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